1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol

C9H13N3O3S — CID 102771627

IUPAC1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ncc([N+](=O)[O-])s2)C1
InChIInChI=1S/C9H13N3O3S/c1-6(13)7-2-3-11(5-7)9-10-4-8(16-9)12(14)15/h4,6-7,13H,2-3,5H2,1H3
InChIKeyIZYQPODGHQBMQQ-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.26
Rot. Bonds3

About 1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol

1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 102771627) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID102771627
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ncc([N+](=O)[O-])s2)C1
InChIInChI=1S/C9H13N3O3S/c1-6(13)7-2-3-11(5-7)9-10-4-8(16-9)12(14)15/h4,6-7,13H,2-3,5H2,1H3
InChIKeyIZYQPODGHQBMQQ-UHFFFAOYSA-N
XLogP1.26
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol
CID 102771598
N-[[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methyl]propan-2-amine
CID 102771315
[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 102771576
methyl 1-(5-nitro-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 102771809
2-methyl-2-[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]propanoic acid
CID 102769991
5-methyl-1-(5-nitro-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 122106877
1-[1-(2-methyl-6-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 112627908
4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile
CID 102770047
1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 112627940
3-methyl-1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-ol
CID 102771643
3-(5-nitro-1,3-thiazol-2-yl)-1,5,3-dithiazocane
CID 125488442
1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627788

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol (CID 102771627) is 1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ncc([N+](=O)[O-])s2)C1.
What is the InChIKey of 1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is IZYQPODGHQBMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-6(13)7-2-3-11(5-7)9-10-4-8(16-9)12(14)15/h4,6-7,13H,2-3,5H2,1H3.
What are the key properties of 1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol?
1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 243.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 102771627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).